N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine

C16H17Cl2NO — CID 66241780

IUPACN-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)NCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H17Cl2NO/c1-11(12-6-8-13(20-2)9-7-12)19-10-14-15(17)4-3-5-16(14)18/h3-9,11,19H,10H2,1-2H3
InChIKeyVNQSHLIWJXUTPS-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.85
Rot. Bonds5

About N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine

N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine (PubChem CID 66241780) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
PubChem CID66241780
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)NCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H17Cl2NO/c1-11(12-6-8-13(20-2)9-7-12)19-10-14-15(17)4-3-5-16(14)18/h3-9,11,19H,10H2,1-2H3
InChIKeyVNQSHLIWJXUTPS-UHFFFAOYSA-N
XLogP4.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[(2,6-dichlorophenyl)methyl]-1-phenylethanamine
CID 961193
(1S)-1-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
CID 81355291
4-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenol
CID 103292031
(1S)-N-[(2-chloro-6-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376672
(1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 28738276
N-[(3,5-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 62050092
(1R)-N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 28517521
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(4-pyridin-4-ylphenyl)ethanamine
CID 167845992
(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 106816973
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 63500625
(1R)-N-[(2,3-dimethylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371074
3-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]benzene-1,2-diol
CID 81370718

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine (CID 66241780) is N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine is COc1ccc(C(C)NCc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine?
The InChIKey is VNQSHLIWJXUTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-11(12-6-8-13(20-2)9-7-12)19-10-14-15(17)4-3-5-16(14)18/h3-9,11,19H,10H2,1-2H3.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine?
N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine has a molecular weight of 310.22 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 66241780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).